The application of quantum mechanics in reactivity of molecules:
Gespeichert in:
| Weitere Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Basel, Switzerland
MDPI - Multidisciplinary Digital Publishing Institute
[2021]
|
| Schlagworte: | |
| Online-Zugang: | Volltext https://doi.org/10.3390/books978-3-0365-0659-3 kostenfrei |
| Beschreibung: | Titelrückseite: This is a reprint of articles from the Special Issue published online in the open access journal Applied Sciences (ISSN 2076-3417) (available at: https://www.mdpi.com/journal/applsci/special issues/Appl Quantum Mechanics). |
| Beschreibung: | 1 Online-Ressource |
| ISBN: | 9783036506593 |
| DOI: | 10.3390/books978-3-0365-0659-3 |
Internformat
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| 653 | |a Quercetin molecule | ||
| 653 | |a conformational mobility | ||
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| 653 | |a transition state | ||
| 653 | |a concerted rotation of the hydroxyl groups | ||
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| 653 | |a master equation | ||
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Datensatz im Suchindex
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| spelling | Sousa, Sérgio F. edt The application of quantum mechanics in reactivity of molecules editor Sérgio F. Sousa Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute [2021] 1 Online-Ressource txt rdacontent c rdamedia cr rdacarrier Titelrückseite: This is a reprint of articles from the Special Issue published online in the open access journal Applied Sciences (ISSN 2076-3417) (available at: https://www.mdpi.com/journal/applsci/special issues/Appl Quantum Mechanics). Molekül (DE-588)4039972-2 gnd rswk-swf Quantenmechanik (DE-588)4047989-4 gnd rswk-swf Pyrophosphate electronic structure mechanical properties optical properties first-principles calculations chemical reactivity theory HSAB principle information theory quantum mechanics regional complementarity rule virial theorem free radical scavengers antioxidants fluoxetine depressive disorder major oxidative stress DFT calculations reactive oxygen species porphyrins, density functional theory DFT surfaces self-assembly scanning tunneling microscopy dispersion nanostructures solid state condensed phase [NiFeSe] hydrogenase quantum mechanics (QM)/molecular mechanics (MM), geometry optimizations vibrational frequency analyses Fourier transform infrared (FTIR) frequencies Quercetin molecule conformational mobility hydroxyl group transition state concerted rotation of the hydroxyl groups quantum-chemical calculations quantum technology chemical kinetics reaction rate RRKM theory master equation coordination complexes donor-acceptor systems partial electronic flows phase-current relations subsystem phases Research & information: general (DE-588)4143413-4 Aufsatzsammlung gnd-content Quantenmechanik (DE-588)4047989-4 s Molekül (DE-588)4039972-2 s DE-604 Erscheint auch als Druck-Ausgabe 978-3-0365-0658-6 https://directory.doabooks.org/handle/20.500.12854/68504 Verlag kostenfrei Volltext https://doi.org/10.3390/books978-3-0365-0659-3 https://mdpi.com/books/pdfview/book/3524 Verlag kostenfrei |
| spellingShingle | The application of quantum mechanics in reactivity of molecules Molekül (DE-588)4039972-2 gnd Quantenmechanik (DE-588)4047989-4 gnd |
| subject_GND | (DE-588)4039972-2 (DE-588)4047989-4 (DE-588)4143413-4 |
| title | The application of quantum mechanics in reactivity of molecules |
| title_auth | The application of quantum mechanics in reactivity of molecules |
| title_exact_search | The application of quantum mechanics in reactivity of molecules |
| title_exact_search_txtP | The application of quantum mechanics in reactivity of molecules |
| title_full | The application of quantum mechanics in reactivity of molecules editor Sérgio F. Sousa |
| title_fullStr | The application of quantum mechanics in reactivity of molecules editor Sérgio F. Sousa |
| title_full_unstemmed | The application of quantum mechanics in reactivity of molecules editor Sérgio F. Sousa |
| title_short | The application of quantum mechanics in reactivity of molecules |
| title_sort | the application of quantum mechanics in reactivity of molecules |
| topic | Molekül (DE-588)4039972-2 gnd Quantenmechanik (DE-588)4047989-4 gnd |
| topic_facet | Molekül Quantenmechanik Aufsatzsammlung |
| url | https://directory.doabooks.org/handle/20.500.12854/68504 https://doi.org/10.3390/books978-3-0365-0659-3 https://mdpi.com/books/pdfview/book/3524 |
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